SCHEMBL855672

SCHEMBL855672

O=C1OCc2c(Br)c(Br)c(Br)c(Br)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
NUAK1 O60285 1/20 0.39
IGF1R P08069 1/20 0.39
MET P08581 1/20 0.39
PIM1 P11309 1/20 0.39
SRC P12931 1/20 0.39
AXL P30530 1/20 0.39
AKT1 P31749 1/20 0.39
KDR P35968 1/20 0.39
NEK2 P51955 1/20 0.39
PLK1 P53350 1/20 0.39
PTK2 Q05397 1/20 0.39
PKN1 Q16512 1/20 0.39
AURKB Q96GD4 1/20 0.39
NEK6 Q9HC98 1/20 0.39
ALK Q9UM73 1/20 0.39
IMPDH2 P12268 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31088172 0.80 NUAK1 (0.36) TSHRNUAK1IGF1RMETPIM1
SCHEMBL855921 0.74 NUAK1 (0.35) NUAK1IGF1RMETPIM1SRC
SCHEMBL8682859 0.70 KDM4E (0.46) NUAK1IGF1RMETPIM1SRC
SCHEMBL16623418 0.68 NUAK1 (0.37) NUAK1IGF1RMETPIM1SRC
SCHEMBL855093 0.68 PIM1 (0.37) NUAK1IGF1RMETPIM1SRC
SCHEMBL855077 0.66 ALOX5 (0.39)
SCHEMBL855174 0.63 ABCC9 (0.39) NUAK1IGF1RMETPIM1SRC
SCHEMBL29376586 0.62 TSHR (1.00) TSHRCA1CA2CA4CA7
SCHEMBL194752 0.62 TSHR (1.00) TSHRCA1CA2CA4CA7
SCHEMBL32672925 0.62 NUAK1 (0.39) NUAK1IGF1RMETPIM1SRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433933-B1 PRODUCTION METHOD OF TRI- OR TETRAHALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL CO (JP) 2019-05-08 EP disclosed
CN-105849094-B The manufacture method of halogen-substituted phthalein 住友化学株式会社 2018-04-10 CN disclosed
CN-105849094-A Method for producing halogen-substituted phthalide 住友化学株式会社 2016-08-10 CN disclosed
US-8604221-B2 Production method of halogen-substituted phthalide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-10 US disclosed
US-20120142946-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 US disclosed
EP-2433933-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed